#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7m n ALA 2 N 0.00 4.59 -2.90 3.04 0.00 -1.26 -2.19 120.51 121.80 1c7m n ALA 2 Ca 0.00 -4.76 -0.42 0.00 0.00 0.00 0.00 53.44 48.27 1c7m n ALA 2 Cb 0.00 -1.88 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 1c7m n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1c7m s ASP 3 N -1.44 5.85 0.36 0.00 -1.08 -1.26 -4.97 116.67 114.12 1c7m s ASP 3 Ca 0.33 -1.18 0.17 0.00 -0.52 0.00 0.00 52.55 51.35 1c7m s ASP 3 Cb 0.04 -2.07 0.66 0.00 -1.46 0.00 0.00 42.92 40.10 1c7m s ASP 3 CO 0.02 -0.49 1.74 1.55 0.52 0.00 0.00 175.17 178.51 1c7m h PRO 4 N 8.52 0.00 -0.21 4.34 0.13 -1.86 -2.55 132.00 140.37 1c7m h PRO 4 Ca -0.26 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.84 1c7m h PRO 4 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1c7m h PRO 4 CO 0.74 0.41 0.02 0.00 -0.23 0.00 0.00 178.00 178.93 1c7m h ALA 5 N 1.59 0.28 -0.41 -0.56 0.00 -1.95 -2.54 119.26 115.67 1c7m h ALA 5 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1c7m h ALA 5 Cb 0.88 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1c7m h ALA 5 CO 0.05 -0.02 0.21 0.00 0.00 0.00 0.00 179.25 179.49 1c7m h ALA 6 N 0.81 1.59 0.00 0.00 0.00 -1.92 -2.92 119.26 116.82 1c7m h ALA 6 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1c7m h ALA 6 Cb 0.36 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1c7m h ALA 6 CO 0.01 0.34 -0.03 0.78 0.00 0.00 0.00 179.25 180.35 1c7m h GLY 7 N 0.67 0.00 0.96 0.00 0.00 -1.35 -2.60 103.07 100.76 1c7m h GLY 7 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1c7m h GLY 7 CO -0.02 0.00 -0.22 -2.09 0.00 0.00 0.00 176.54 174.21 1c7m h GLU 8 N 0.00 0.71 -0.35 4.80 4.81 -1.25 0.03 114.58 123.32 1c7m h GLU 8 Ca -0.00 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.80 1c7m h GLU 8 Cb 0.08 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1c7m h GLU 8 CO 0.00 0.95 -0.16 1.57 -0.73 0.00 0.00 179.01 180.65 1c7m h LYS 9 N 0.47 0.63 -0.44 1.92 2.10 -1.63 -2.57 116.57 117.04 1c7m h LYS 9 Ca 0.06 -0.21 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 1c7m h LYS 9 Cb 0.77 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.03 1c7m h LYS 9 CO 0.06 0.76 0.24 0.28 -2.00 0.00 0.00 179.45 178.78 1c7m h VAL 10 N 0.57 1.17 -0.21 0.07 2.07 -1.49 -3.04 116.25 115.38 1c7m h VAL 10 Ca 0.09 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.24 1c7m h VAL 10 Cb 0.59 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1c7m h VAL 10 CO 0.04 0.18 0.20 0.15 0.02 0.00 0.00 177.57 178.16 1c7m h PHE 11 N 0.58 0.00 -0.82 1.57 3.57 -0.92 -2.92 116.94 118.00 1c7m h PHE 11 Ca 0.16 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.86 1c7m h PHE 11 Cb 0.07 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1c7m h PHE 11 CO -0.02 0.00 0.56 0.78 -2.23 0.00 0.00 178.31 177.40 1c7m h GLY 12 N 0.00 0.41 1.62 2.40 0.00 -1.33 -0.21 103.07 105.95 1c7m h GLY 12 Ca 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1c7m h GLY 12 CO -0.00 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.01 1c7m h LYS 13 N 0.20 0.48 -0.00 4.80 1.57 -1.67 -3.25 116.57 118.69 1c7m h LYS 13 Ca 0.40 -0.11 -0.21 0.00 -1.87 0.00 0.00 60.65 58.87 1c7m h LYS 13 Cb 1.29 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 1c7m h LYS 13 CO -0.08 0.53 -0.91 0.00 -0.57 0.00 0.00 179.45 178.42 1c7m h LYS 15 N 0.18 0.26 -0.28 0.00 1.57 -1.14 -0.48 116.57 116.67 1c7m h LYS 15 Ca -0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1c7m h LYS 15 Cb 1.54 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 1c7m h LYS 15 CO 0.15 0.17 0.18 0.00 -0.57 0.00 0.00 179.45 179.38 1c7m h ALA 16 N 1.60 1.78 0.04 3.86 0.00 -1.80 -3.32 119.26 121.43 1c7m h ALA 16 Ca 0.44 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.94 1c7m h ALA 16 Cb 1.31 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1c7m h ALA 16 CO -0.12 0.20 -2.28 0.00 0.00 0.00 0.00 179.25 177.04 1c7m s HIS 18 N -2.52 2.56 0.08 0.00 3.76 -0.27 -0.99 115.29 117.91 1c7m s HIS 18 Ca -0.31 -0.26 0.09 0.00 -0.15 0.00 0.00 55.06 54.43 1c7m s HIS 18 Cb 0.09 -1.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.19 1c7m s HIS 18 CO 0.64 0.15 -0.22 0.15 -0.85 0.00 0.00 174.74 174.61 1c7m s LYS 19 N -0.90 1.79 0.10 1.40 -0.14 -1.16 -4.13 119.74 116.71 1c7m s LYS 19 Ca 0.12 -1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 53.55 1c7m s LYS 19 Cb -0.10 -2.06 -0.19 0.00 -1.68 0.00 0.00 37.83 33.79 1c7m s LYS 19 CO 0.01 0.50 1.22 -0.07 -0.76 0.00 0.00 175.35 176.25 1c7m h LEU 20 N 4.20 0.41 -5.87 3.17 3.38 -1.89 -2.84 115.31 115.88 1c7m h LEU 20 Ca -0.49 -0.40 -0.73 0.00 0.09 0.00 0.00 57.88 56.36 1c7m h LEU 20 Cb 1.16 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1c7m h LEU 20 CO 0.44 1.26 2.69 -0.67 0.09 0.00 0.00 178.44 182.25 1c7m n ASP 21 N -3.60 6.37 0.00 -0.43 -0.08 -1.26 -4.35 116.55 113.19 1c7m n ASP 21 Ca -0.07 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 1c7m n ASP 21 Cb 0.94 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.91 1c7m n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1c7m n GLY 22 N 2.88 1.41 3.76 0.27 0.00 -1.26 -4.99 105.19 107.27 1c7m n GLY 22 Ca 0.56 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 1c7m n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1c7m s ASN 23 N 0.00 5.01 0.00 1.61 0.01 -1.26 -4.74 114.94 115.57 1c7m s ASN 23 Ca 0.00 2.10 0.00 0.00 -0.71 0.00 0.00 52.86 54.25 1c7m s ASN 23 Cb 0.00 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.10 1c7m s ASN 23 CO 0.00 -1.70 0.00 0.47 -1.51 0.00 0.00 177.10 174.36 1c7m n ASP 24 N -2.32 0.00 0.00 -1.22 9.92 -1.26 -3.91 116.55 117.76 1c7m n ASP 24 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1c7m n ASP 24 Cb 0.51 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1c7m n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c7m n GLY 25 N 2.81 1.35 0.12 0.44 0.00 -1.26 -2.97 105.19 105.69 1c7m n GLY 25 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 1c7m n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1c7m n VAL 26 N 0.00 1.56 -2.70 1.61 0.31 -0.16 -5.02 118.33 113.93 1c7m n VAL 26 Ca 0.00 -0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 63.83 1c7m n VAL 26 Cb 0.00 -1.89 0.05 0.00 -0.91 0.00 0.00 33.84 31.09 1c7m n VAL 26 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1c7m s GLY 27 N -5.34 1.82 1.08 2.92 0.00 -0.45 -5.02 107.32 102.34 1c7m s GLY 27 Ca -0.32 -1.51 -0.13 0.00 0.00 0.00 0.00 44.72 42.76 1c7m s GLY 27 CO 0.58 -1.17 1.07 2.56 0.00 0.00 0.00 173.10 176.14 1c7m s PRO 28 N -4.78 -0.20 0.09 2.90 0.04 -1.26 -4.54 135.00 127.26 1c7m s PRO 28 Ca 0.59 0.55 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1c7m s PRO 28 Cb -0.09 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.72 1c7m s PRO 28 CO 0.39 -3.17 1.39 -3.38 0.04 0.00 0.00 177.00 172.27 1c7m s HIS 29 N -2.80 3.17 -0.26 0.56 -3.43 -1.26 -4.34 115.29 106.92 1c7m s HIS 29 Ca 0.67 0.93 0.13 0.00 -0.80 0.00 0.00 55.06 55.99 1c7m s HIS 29 Cb -0.20 -3.67 0.81 0.00 -1.43 0.00 0.00 32.58 28.09 1c7m s HIS 29 CO 0.60 -2.38 1.77 1.28 -2.00 0.00 0.00 174.74 174.01 1c7m n LEU 30 N 4.21 5.88 -4.56 5.38 4.77 -1.07 -4.92 117.00 126.69 1c7m n LEU 30 Ca 0.12 -3.00 -0.25 0.00 -0.03 0.00 0.00 56.01 52.84 1c7m n LEU 30 Cb 0.43 -0.70 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 1c7m n LEU 30 CO 0.58 0.67 1.41 0.54 -1.33 0.00 0.00 177.39 179.27 1c7m s ASN 31 N -0.83 4.72 -0.44 -1.43 2.20 -1.26 -1.90 114.94 116.00 1c7m s ASN 31 Ca 0.55 -0.14 -0.01 0.00 -0.94 0.00 0.00 52.86 52.32 1c7m s ASN 31 Cb 0.43 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 37.13 1c7m s ASN 31 CO 0.16 -3.04 0.38 0.61 -2.94 0.00 0.00 177.10 172.27 1c7m n GLY 32 N 6.59 0.28 0.23 0.45 0.00 -1.26 -4.99 105.19 106.48 1c7m n GLY 32 Ca 0.39 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1c7m n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c7m h VAL 33 N -0.79 1.09 -2.28 1.61 3.04 -1.62 -3.33 116.25 113.97 1c7m h VAL 33 Ca -0.20 -0.61 -0.52 0.00 -1.01 0.00 0.00 66.70 64.35 1c7m h VAL 33 Cb 1.12 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 1c7m h VAL 33 CO 0.18 0.17 1.26 -0.69 -1.01 0.00 0.00 177.57 177.49 1c7m s VAL 34 N -4.61 3.50 0.00 1.51 1.01 -1.26 -1.90 120.40 118.65 1c7m s VAL 34 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1c7m s VAL 34 Cb 0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1c7m s VAL 34 CO 0.69 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1c7m n GLY 35 N 5.54 0.76 3.89 4.51 0.00 0.16 -4.94 105.19 115.11 1c7m n GLY 35 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1c7m n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7m s ARG 36 N -0.90 3.68 0.71 1.61 3.52 -0.80 -4.86 118.95 121.91 1c7m s ARG 36 Ca 0.00 0.04 -0.16 0.00 -0.13 0.00 0.00 55.73 55.48 1c7m s ARG 36 Cb 0.00 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1c7m s ARG 36 CO 0.00 0.36 1.04 -2.37 -0.81 0.00 0.00 175.30 173.52 1c7m n THR 37 N -0.24 3.13 -2.45 4.11 5.66 -1.26 -0.23 114.28 123.00 1c7m n THR 37 Ca -0.01 -0.38 -0.41 0.00 -3.05 0.00 0.00 64.05 60.19 1c7m n THR 37 Cb 0.52 -1.18 -0.04 0.00 -1.55 0.00 0.00 70.33 68.09 1c7m n THR 37 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1c7m s VAL 38 N -1.76 3.77 -1.31 1.08 1.01 -0.41 -2.24 120.40 120.54 1c7m s VAL 38 Ca 0.75 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 64.19 1c7m s VAL 38 Cb -0.35 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1c7m s VAL 38 CO 0.48 0.24 0.29 0.00 0.00 0.00 0.00 175.10 176.11 1c7m n ALA 39 N 2.56 -0.65 -1.91 5.51 0.00 -1.26 -3.82 120.51 120.94 1c7m n ALA 39 Ca 0.04 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.30 1c7m n ALA 39 Cb 0.46 -2.65 0.01 0.00 0.00 0.00 0.00 19.45 17.27 1c7m n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7m n GLY 40 N -1.23 5.32 2.63 0.00 0.00 -0.95 -4.76 105.19 106.21 1c7m n GLY 40 Ca -0.13 -2.34 -0.27 0.00 0.00 0.00 0.00 46.02 43.27 1c7m n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c7m s VAL 41 N -4.21 0.11 -0.44 1.61 1.01 -1.26 -4.88 120.40 112.35 1c7m s VAL 41 Ca 0.52 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 1c7m s VAL 41 Cb 0.39 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1c7m s VAL 41 CO -0.33 -0.41 1.55 -0.62 0.00 0.00 0.00 175.10 175.29 1c7m s ASP 42 N 2.03 6.09 0.00 3.32 2.15 -1.26 -2.56 116.67 126.44 1c7m s ASP 42 Ca 0.04 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.83 1c7m s ASP 42 Cb -0.16 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1c7m s ASP 42 CO -0.17 -1.64 0.00 0.61 -0.17 0.00 0.00 175.17 173.79 1c7m n GLY 43 N 5.26 3.60 3.71 2.66 0.00 -1.26 -5.12 105.19 114.04 1c7m n GLY 43 Ca 0.18 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1c7m n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c7m s PHE 44 N 0.00 3.62 -0.61 1.61 2.19 -1.06 -5.04 117.98 118.69 1c7m s PHE 44 Ca 0.00 1.51 -0.25 0.00 0.33 0.00 0.00 56.93 58.52 1c7m s PHE 44 Cb 0.00 -3.00 0.04 0.00 -1.31 0.00 0.00 43.02 38.76 1c7m s PHE 44 CO 0.00 0.02 1.07 1.21 1.83 0.00 0.00 175.22 179.35 1c7m s ASN 45 N 0.93 6.30 0.69 6.13 2.47 -1.26 -4.87 114.94 125.33 1c7m s ASN 45 Ca 0.46 -0.39 -0.10 0.00 0.42 0.00 0.00 52.86 53.25 1c7m s ASN 45 Cb -0.20 -2.48 0.03 0.00 -1.45 0.00 0.00 41.25 37.15 1c7m s ASN 45 CO 0.24 -1.44 1.05 -0.31 -3.72 0.00 0.00 177.10 172.91 1c7m s TYR 46 N 4.54 3.20 0.81 0.43 2.02 -1.26 -5.08 117.35 122.02 1c7m s TYR 46 Ca 0.32 0.83 -0.11 0.00 -0.37 0.00 0.00 57.07 57.74 1c7m s TYR 46 Cb -0.11 -3.06 0.08 0.00 -0.40 0.00 0.00 41.96 38.46 1c7m s TYR 46 CO 0.18 -1.20 1.09 -1.54 -1.57 0.00 0.00 175.55 172.51 1c7m s SER 47 N -4.40 4.19 0.11 2.29 1.04 -1.26 -4.86 113.70 110.81 1c7m s SER 47 Ca 0.58 1.64 -0.24 0.00 0.48 0.00 0.00 55.95 58.41 1c7m s SER 47 Cb -0.11 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 1c7m s SER 47 CO 0.49 -2.21 1.69 -0.78 0.98 0.00 0.00 173.24 173.41 1c7m h ASP 48 N -1.25 -0.33 0.86 7.02 1.82 -1.99 -1.51 116.42 121.04 1c7m h ASP 48 Ca -0.46 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.21 1c7m h ASP 48 Cb 1.25 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 41.39 1c7m h ASP 48 CO 0.54 -0.17 -0.07 1.55 -1.61 0.00 0.00 179.24 179.48 1c7m h PRO 49 N -0.21 0.00 0.13 0.28 0.13 -1.89 -0.83 132.00 129.61 1c7m h PRO 49 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1c7m h PRO 49 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1c7m h PRO 49 CO -0.10 0.07 -0.06 1.98 -0.23 0.00 0.00 178.00 179.65 1c7m h MET 50 N 0.00 -0.17 -0.79 0.86 -1.53 -1.77 -2.78 114.93 108.75 1c7m h MET 50 Ca -0.00 0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1c7m h MET 50 Cb 0.51 0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.56 1c7m h MET 50 CO 0.01 0.07 0.48 0.87 0.14 0.00 0.00 176.91 178.48 1c7m h LYS 51 N -0.40 1.07 0.00 0.39 1.57 -1.16 -2.96 116.57 115.07 1c7m h LYS 51 Ca -0.02 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1c7m h LYS 51 Cb 0.32 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1c7m h LYS 51 CO 0.03 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 1c7m h ALA 52 N 1.26 1.00 0.33 3.86 0.00 -1.26 -3.31 119.26 121.15 1c7m h ALA 52 Ca 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1c7m h ALA 52 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1c7m h ALA 52 CO -0.05 0.00 -0.16 1.25 0.00 0.00 0.00 179.25 180.29 1c7m h HIS 53 N 0.00 -0.41 0.00 0.00 6.17 -1.31 -3.49 115.15 116.10 1c7m h HIS 53 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1c7m h HIS 53 Cb 0.24 0.14 0.00 0.00 2.52 0.00 0.00 27.41 30.31 1c7m h HIS 53 CO 0.00 -0.26 0.00 0.41 0.71 0.00 0.00 177.93 178.79 1c7m n GLY 54 N -0.03 2.41 7.00 5.26 0.00 -1.24 -4.95 105.19 113.65 1c7m n GLY 54 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1c7m n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7m n GLY 55 N 0.00 4.03 3.37 -0.02 0.00 -1.26 -1.28 105.19 110.02 1c7m n GLY 55 Ca 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1c7m n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7m s ASP 56 N -4.00 -0.40 -1.16 1.61 1.01 -1.26 -4.22 116.67 108.25 1c7m s ASP 56 Ca 0.00 0.28 -0.20 0.00 0.71 0.00 0.00 52.55 53.34 1c7m s ASP 56 Cb 0.00 0.44 0.07 0.00 1.01 0.00 0.00 42.92 44.44 1c7m s ASP 56 CO 0.00 -0.60 1.56 0.26 0.21 0.00 0.00 175.17 176.60 1c7m s TRP 57 N -1.75 2.77 0.71 4.23 0.23 0.68 -4.78 118.94 121.03 1c7m s TRP 57 Ca -0.09 -1.35 -0.11 0.00 -2.03 0.00 0.00 56.10 52.52 1c7m s TRP 57 Cb -0.02 -4.67 0.02 0.00 0.03 0.00 0.00 33.47 28.83 1c7m s TRP 57 CO 0.03 -1.80 1.07 0.95 0.96 0.00 0.00 176.95 178.16 1c7m s THR 58 N 4.20 3.83 -0.86 2.01 -4.23 -1.26 -0.67 115.64 118.66 1c7m s THR 58 Ca 0.49 0.59 -0.06 0.00 -1.18 0.00 0.00 61.69 61.53 1c7m s THR 58 Cb 0.01 -3.37 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 1c7m s THR 58 CO -0.01 -0.78 2.21 -0.81 -0.54 0.00 0.00 174.62 174.69 1c7m n PRO 59 N -3.16 2.10 0.04 3.99 -0.04 -1.26 -1.45 135.00 135.21 1c7m n PRO 59 Ca 0.07 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1c7m n PRO 59 Cb 0.54 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1c7m n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1c7m n GLU 60 N 3.97 0.00 -0.08 0.54 2.13 -1.26 -4.75 120.64 121.19 1c7m n GLU 60 Ca 0.45 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.18 1c7m n GLU 60 Cb 0.19 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.88 1c7m n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1c7m h ALA 61 N 0.00 0.35 -0.46 4.31 0.00 -1.87 -2.79 119.26 118.80 1c7m h ALA 61 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1c7m h ALA 61 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1c7m h ALA 61 CO 0.00 -0.18 0.24 -0.07 0.00 0.00 0.00 179.25 179.24 1c7m h LEU 62 N 0.37 0.56 -1.48 0.00 3.38 -1.56 0.66 115.31 117.25 1c7m h LEU 62 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1c7m h LEU 62 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1c7m h LEU 62 CO -0.02 0.47 0.08 1.56 0.09 0.00 0.00 178.44 180.61 1c7m h GLN 63 N 0.64 0.43 0.00 1.13 1.08 -1.77 0.14 115.11 116.76 1c7m h GLN 63 Ca 0.16 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1c7m h GLN 63 Cb 0.04 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 1c7m h GLN 63 CO -0.03 0.39 -0.00 0.93 -0.95 0.00 0.00 178.83 179.17 1c7m h GLU 64 N 0.42 -0.00 -0.79 1.46 5.08 -1.37 -3.37 114.58 116.01 1c7m h GLU 64 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1c7m h GLU 64 Cb 0.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1c7m h GLU 64 CO -0.01 0.89 0.33 0.35 -1.00 0.00 0.00 179.01 179.57 1c7m h PHE 65 N -0.96 1.18 0.00 4.33 3.57 -0.84 -0.19 116.94 124.03 1c7m h PHE 65 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1c7m h PHE 65 Cb 0.89 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1c7m h PHE 65 CO 0.25 0.88 -0.08 -0.07 -2.23 0.00 0.00 178.31 177.06 1c7m h LEU 66 N 1.14 0.00 0.00 0.59 3.38 -0.94 -1.26 115.31 118.22 1c7m h LEU 66 Ca 0.27 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.97 1c7m h LEU 66 Cb 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1c7m h LEU 66 CO -0.02 0.08 -1.58 0.74 0.09 0.00 0.00 178.44 177.75 1c7m h THR 67 N 0.00 0.89 -2.08 0.22 2.02 -1.69 0.17 112.91 112.43 1c7m h THR 67 Ca -0.00 -2.67 -0.58 0.00 0.77 0.00 0.00 66.41 63.93 1c7m h THR 67 Cb 0.29 2.41 -0.40 0.00 -1.74 0.00 0.00 68.15 68.71 1c7m h THR 67 CO 0.01 0.51 -0.90 0.59 0.37 0.00 0.00 175.52 176.10 1c7m n ASN 68 N -3.06 1.67 0.20 4.18 3.02 -0.10 -4.24 115.26 116.95 1c7m n ASN 68 Ca -0.14 -3.01 -0.15 0.00 -0.03 0.00 0.00 54.58 51.25 1c7m n ASN 68 Cb 1.01 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 39.44 1c7m n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1c7m h PRO 69 N 4.05 -0.47 -1.15 3.52 0.11 -1.47 -0.99 132.00 135.61 1c7m h PRO 69 Ca 0.12 0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 1c7m h PRO 69 Cb 0.79 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.94 1c7m h PRO 69 CO 0.62 -0.24 0.14 0.36 -0.21 0.00 0.00 178.00 178.67 1c7m n LYS 70 N -5.25 1.27 0.00 1.05 2.85 -1.26 -2.24 118.16 114.59 1c7m n LYS 70 Ca -0.10 -0.63 0.00 0.00 -1.05 0.00 0.00 58.31 56.53 1c7m n LYS 70 Cb 0.24 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 1c7m n LYS 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1c7m n ALA 71 N 0.32 2.06 0.10 0.58 0.00 -1.07 -4.19 120.51 118.31 1c7m n ALA 71 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1c7m n ALA 71 Cb 0.70 0.13 -0.08 0.00 0.00 0.00 0.00 19.45 20.20 1c7m n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1c7m h VAL 72 N 0.00 0.87 -3.58 0.00 2.07 -1.32 -3.36 116.25 110.93 1c7m h VAL 72 Ca 0.00 -0.71 -0.75 0.00 0.82 0.00 0.00 66.70 66.06 1c7m h VAL 72 Cb 0.26 1.27 -0.31 0.00 -1.52 0.00 0.00 31.29 30.99 1c7m h VAL 72 CO 0.00 0.15 0.01 -0.69 0.02 0.00 0.00 177.57 177.06 1c7m s VAL 73 N -4.59 4.91 -0.45 2.57 1.01 -0.95 -5.06 120.40 117.84 1c7m s VAL 73 Ca -0.14 -3.13 -0.28 0.00 0.00 0.00 0.00 61.98 58.43 1c7m s VAL 73 Cb 0.02 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1c7m s VAL 73 CO 0.57 -1.04 1.65 -0.75 0.00 0.00 0.00 175.10 175.54 1c7m s LYS 74 N -0.56 3.23 0.00 2.72 2.20 -1.26 -1.95 119.74 124.12 1c7m s LYS 74 Ca 0.23 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1c7m s LYS 74 Cb -0.12 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.02 1c7m s LYS 74 CO -0.08 -1.99 0.00 0.41 -0.36 0.00 0.00 175.35 173.33 1c7m n GLY 75 N 5.37 1.57 3.77 5.54 0.00 -1.26 -4.85 105.19 115.33 1c7m n GLY 75 Ca 0.19 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1c7m n GLY 75 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1c7m s THR 76 N -2.02 3.74 -1.91 2.61 -1.32 -0.83 -4.56 115.64 111.36 1c7m s THR 76 Ca 0.00 1.52 0.06 0.00 -1.21 0.00 0.00 61.69 62.07 1c7m s THR 76 Cb 0.00 -3.88 0.17 0.00 -1.51 0.00 0.00 72.50 67.28 1c7m s THR 76 CO 0.00 0.19 0.88 1.17 -2.21 0.00 0.00 174.62 174.65 1c7m n LYS 77 N 0.58 0.18 -2.66 7.08 3.00 -1.26 -4.76 118.16 120.33 1c7m n LYS 77 Ca 0.02 0.04 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 1c7m n LYS 77 Cb 0.48 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.98 1c7m n LYS 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1c7m s MET 78 N -2.09 3.42 -1.36 1.64 1.75 -1.26 -4.96 119.30 116.44 1c7m s MET 78 Ca 0.09 0.02 -0.16 0.00 -1.25 0.00 0.00 55.69 54.40 1c7m s MET 78 Cb 0.04 -4.05 0.02 0.00 2.84 0.00 0.00 34.83 33.68 1c7m s MET 78 CO 0.08 -1.69 2.13 0.00 -0.65 0.00 0.00 175.02 174.89 1c7m n ALA 79 N 8.26 4.97 -3.73 4.11 0.00 -1.26 -4.79 120.51 128.08 1c7m n ALA 79 Ca 0.06 -3.80 -0.16 0.00 0.00 0.00 0.00 53.44 49.54 1c7m n ALA 79 Cb 0.48 -3.56 -0.16 0.00 0.00 0.00 0.00 19.45 16.22 1c7m n ALA 79 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c7m s PHE 80 N 3.67 0.19 0.00 0.00 5.36 -1.26 -5.09 117.98 120.85 1c7m s PHE 80 Ca 0.49 0.05 -0.20 0.00 -0.96 0.00 0.00 56.93 56.32 1c7m s PHE 80 Cb 0.12 -0.33 -0.23 0.00 -0.34 0.00 0.00 43.02 42.24 1c7m s PHE 80 CO -0.04 -0.11 1.09 0.00 -1.46 0.00 0.00 175.22 174.70 1c7m h ALA 81 N 7.25 0.07 0.00 11.12 0.00 -1.95 -3.42 119.26 132.33 1c7m h ALA 81 Ca -0.44 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1c7m h ALA 81 Cb 1.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1c7m h ALA 81 CO 0.48 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.47 1c7m n GLY 82 N 1.07 4.54 3.74 0.00 0.00 -1.26 -4.55 105.19 108.72 1c7m n GLY 82 Ca -0.10 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1c7m n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c7m s LEU 83 N 0.00 4.49 -0.12 0.99 1.43 0.58 -4.91 118.68 121.14 1c7m s LEU 83 Ca 0.00 2.05 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1c7m s LEU 83 Cb 0.00 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 1c7m s LEU 83 CO 0.00 -0.21 0.12 1.55 0.23 0.00 0.00 176.35 178.04 1c7m h PRO 84 N 5.19 0.00 -6.70 1.29 0.13 -1.94 -3.37 132.00 126.60 1c7m h PRO 84 Ca -0.44 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.19 1c7m h PRO 84 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1c7m h PRO 84 CO 0.73 0.23 0.19 0.15 -0.23 0.00 0.00 178.00 179.07 1c7m s LYS 85 N -1.82 4.35 0.36 0.86 -0.14 -1.26 -5.00 119.74 117.09 1c7m s LYS 85 Ca -0.07 1.02 0.04 0.00 -1.36 0.00 0.00 55.97 55.60 1c7m s LYS 85 Cb 0.00 -2.81 0.69 0.00 -1.68 0.00 0.00 37.83 34.03 1c7m s LYS 85 CO 0.19 0.33 1.99 0.97 -0.76 0.00 0.00 175.35 178.06 1c7m h ILE 86 N 2.63 1.09 0.00 2.17 6.09 -1.98 -2.51 117.51 125.01 1c7m h ILE 86 Ca -0.48 -0.28 -0.04 0.00 -1.37 0.00 0.00 64.86 62.70 1c7m h ILE 86 Cb 1.19 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.70 1c7m h ILE 86 CO 0.65 0.15 -0.18 1.05 -3.07 0.00 0.00 178.15 176.75 1c7m h GLU 87 N 0.80 0.00 0.01 2.19 -0.00 -1.94 -1.46 114.58 114.18 1c7m h GLU 87 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.63 1c7m h GLU 87 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1c7m h GLU 87 CO -0.07 0.18 -0.00 0.22 -0.00 0.00 0.00 179.01 179.33 1c7m h ASP 88 N 0.00 -0.01 -0.44 3.06 3.58 -1.81 -1.83 116.42 118.96 1c7m h ASP 88 Ca -0.00 -0.63 -0.10 0.00 0.42 0.00 0.00 57.03 56.72 1c7m h ASP 88 Cb 0.33 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1c7m h ASP 88 CO 0.02 0.63 -0.09 0.08 -2.88 0.00 0.00 179.24 177.00 1c7m h ARG 89 N -0.65 0.90 -0.60 0.28 0.11 -1.67 -2.88 114.38 109.87 1c7m h ARG 89 Ca -0.00 -0.30 0.03 0.00 0.10 0.00 0.00 59.98 59.80 1c7m h ARG 89 Cb 0.64 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.61 1c7m h ARG 89 CO 0.00 0.95 0.37 0.00 0.10 0.00 0.00 179.97 181.38 1c7m h ALA 90 N 1.08 0.77 -0.24 0.08 0.00 -1.33 0.45 119.26 120.07 1c7m h ALA 90 Ca 0.13 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1c7m h ALA 90 Cb 0.61 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1c7m h ALA 90 CO 0.04 0.11 0.07 -0.91 0.00 0.00 0.00 179.25 178.55 1c7m h ASN 91 N 0.72 0.06 -0.62 0.00 2.35 -0.83 -1.15 115.58 116.12 1c7m h ASN 91 Ca 0.24 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 1c7m h ASN 91 Cb 0.02 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 38.35 1c7m h ASN 91 CO -0.10 0.07 0.27 0.25 -1.65 0.00 0.00 177.43 176.27 1c7m h LEU 92 N 0.17 0.32 -0.52 1.61 5.85 -1.44 -1.44 115.31 119.86 1c7m h LEU 92 Ca 0.11 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1c7m h LEU 92 Cb 0.09 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1c7m h LEU 92 CO -0.12 0.19 0.23 0.40 -0.34 0.00 0.00 178.44 178.81 1c7m h ILE 93 N 0.48 1.20 -0.55 4.05 2.04 -0.75 0.60 117.51 124.59 1c7m h ILE 93 Ca 0.30 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1c7m h ILE 93 Cb 0.33 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.99 1c7m h ILE 93 CO -0.27 0.23 0.24 0.00 0.00 0.00 0.00 178.15 178.35 1c7m h ALA 94 N 1.08 0.70 -0.10 1.87 0.00 -1.18 -1.29 119.26 120.33 1c7m h ALA 94 Ca 0.18 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1c7m h ALA 94 Cb 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1c7m h ALA 94 CO -0.02 -0.13 -0.28 -0.92 0.00 0.00 0.00 179.25 177.89 1c7m h TYR 95 N 0.46 -0.77 0.00 0.00 3.20 -1.13 -2.31 116.97 116.42 1c7m h TYR 95 Ca 0.26 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1c7m h TYR 95 Cb 0.23 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1c7m h TYR 95 CO -0.13 -0.37 -0.14 -0.07 -1.64 0.00 0.00 178.16 175.81 1c7m h LEU 96 N -0.37 0.00 0.20 2.82 3.38 -0.70 0.31 115.31 120.95 1c7m h LEU 96 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1c7m h LEU 96 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1c7m h LEU 96 CO -0.31 0.14 -0.10 -0.33 0.09 0.00 0.00 178.44 177.93 1c7m h GLU 97 N 0.00 -0.26 0.10 1.13 5.08 -1.24 -3.36 114.58 116.03 1c7m h GLU 97 Ca -0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1c7m h GLU 97 Cb 0.32 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1c7m h GLU 97 CO 0.02 0.06 -0.05 0.78 -1.00 0.00 0.00 179.01 178.82 1c7m h GLY 98 N -0.59 -0.14 -7.38 -3.84 0.00 -1.11 -3.41 103.07 86.60 1c7m h GLY 98 Ca -0.03 0.05 -0.68 0.00 0.00 0.00 0.00 47.33 46.67 1c7m h GLY 98 CO 0.05 -0.05 0.63 1.62 0.00 0.00 0.00 176.54 178.78 1c7m s GLN 99 N -2.96 3.39 0.00 4.80 0.74 0.11 -5.10 119.66 120.64 1c7m s GLN 99 Ca -0.12 -1.48 0.00 0.00 0.05 0.00 0.00 55.36 53.80 1c7m s GLN 99 Cb -0.00 -4.62 0.00 0.00 1.10 0.00 0.00 33.01 29.48 1c7m s GLN 99 CO 0.47 -1.73 0.47 0.00 -0.55 0.00 0.00 175.29 173.95